(9S,27S)-4,21-Dimethoxy-10,26-dimethyl-2,18,35-trioxa-10,26-diazaoctacyclo[27.2.2.13,7.19,13.116,20.119,23.017,36.027,34]heptatriaconta-1(31),3,5,7(37),13(36),14,16,19(34),20,22,29,32-dodecaene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL503363 | |
| PubChem: | 44143978 | |
| IUPAC: | (9S,27S)-4,21-dimethoxy-10,26-dimethyl-2,18,35-trioxa-10,26-diazaoctacyclo[27.2.2.13,7.19,13.116,20.119,23.017,36.027,34]heptatriaconta-1(31),3,5,7(37),13(36),14,16,19(34),20,22,29,32-dodecaene | |
| Standard InChI: | InChI=1S/C36H36N2O5/c1-37-15-13-23-8-12-29-34-32(23)27(37)18-22-7-11-28(39-3)30(19-22)41-25-9-5-21(6-10-25)17-26-33-24(14-16-38(26)2)20-31(40-4)35(42-29)36(33)43-34/h5-12,19-20,26-27H,13-18H2,1-4H3/t26-,27-/m0/s1 | |
| Standard InChI Key: | IGGMWDYWFSLMOW-SVBPBHIXSA-N | |
| SMILES: | COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1N(C)CCc3c1c1Oc4c5[C@H](C2)N(C)CCc5ccc4Oc1c(c3)OC | |
Molecular propeties
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| AlogP: | 7.25 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 9 | |
| Molecular Weight: | 576.26 | |
| Topological polar surface area: | 52.6 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 36 | |